4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole

C19H14Cl2N2S — CID 2842963

IUPAC4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(C2CN(c3ccccc3)N=C2c2cccs2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2S/c20-13-8-9-15(17(21)11-13)16-12-23(14-5-2-1-3-6-14)22-19(16)18-7-4-10-24-18/h1-11,16H,12H2
InChIKeyCDZFVNADHWJMRU-UHFFFAOYSA-N
MW373.31 g/mol
LogP6.06
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole

4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 2842963) has the molecular formula C19H14Cl2N2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID2842963
Molecular FormulaC19H14Cl2N2S
Molecular Weight373.31 g/mol
Exact Mass372.03
IUPAC Name4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
SMILESClc1ccc(C2CN(c3ccccc3)N=C2c2cccs2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2S/c20-13-8-9-15(17(21)11-13)16-12-23(14-5-2-1-3-6-14)22-19(16)18-7-4-10-24-18/h1-11,16H,12H2
InChIKeyCDZFVNADHWJMRU-UHFFFAOYSA-N
XLogP6.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.31
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole (CID 2842963) is 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is Clc1ccc(C2CN(c3ccccc3)N=C2c2cccs2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is CDZFVNADHWJMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2S/c20-13-8-9-15(17(21)11-13)16-12-23(14-5-2-1-3-6-14)22-19(16)18-7-4-10-24-18/h1-11,16H,12H2.
What are the key properties of 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole?
4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 373.31 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 2842963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).